[3-[[1,3-benzodioxol-5-ylcarbonyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[1,3-benzodioxol-5-ylcarbonyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[1,3-benzodioxole-5-carbonyl(2-furylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[1,3-benzodioxol-5-yl(oxo)methyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[1,3-benzodioxole-5-carbonyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[2-furfuryl(piperonyloyl)amino]methyl]phenyl] ester Formula: C26H20FNO7S MolecularWeight: 509.502903

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)N(CC3=CC(=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)F)CC5=CC=CO5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)N(CC3=CC(=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)F)CC5=CC=CO5

InChI

InChI=1S/C26H20FNO7S/c27-20-7-9-23(10-8-20)36(30,31)35-21-4-1-3-18(13-21)15-28(16-22-5-2-12-32-22)26(29)19-6-11-24-25(14-19)34-17-33-24/h1-14H,15-17H2